Question to consider within our reaction system generation code

[yingyue2030699]

We are representing the reaction system as a graph. The question is, if we know the subunit geometry and the connection topology, is that enough to specify the complex geometry?

[yingyue2030699]

A simple counter-example to consider:

A rotationally symmetric seed (S) with 12 identical binding sites for A. (SO(12) symmetry), are all A-S-A the same species?